data_nef_c30253_5uzd save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code BMRB 30254 BMRB 30255 PDB 5UZD stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 DG start . . 2 A 2 DC middle . . 3 A 3 DA middle . . 4 A 4 DT middle . . 5 A 5 DC middle . . 6 A 6 DG middle . . 7 A 7 DA middle . . 8 A 8 DT middle . . 9 A 9 DT middle . . 10 A 10 DG middle . . 11 A 11 DG middle . . 12 A 12 DC end . . 13 B 13 DG start . . 14 B 14 DC middle . . 15 B 15 DC middle . . 16 B 16 DA middle . . 17 B 17 DA middle . . 18 B 18 DT middle . . 19 B 19 DC middle . . 20 B 20 DG middle . . 21 B 21 DA middle . . 22 B 22 DT middle . . 23 B 23 DG middle . . 24 B 24 DC end . . stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 DG H1' H 1 5.96 . A 1 DG H2' H 1 2.74 . A 1 DG H2'' H 1 2.61 . A 1 DG H4' H 1 4.2 . A 1 DG H8 H 1 7.93 . A 1 DG C1' C 13 85.3 . A 1 DG C2' C 13 40.3 . A 1 DG C4' C 13 89.2 . A 1 DG C8 C 13 138.8 . A 2 DC H1' H 1 5.65 . A 2 DC H2' H 1 2.46 . A 2 DC H2'' H 1 2.16 . A 2 DC H4' H 1 4.2 . A 2 DC H5 H 1 5.42 . A 2 DC H6 H 1 7.44 . A 2 DC C1' C 13 86.4 . A 2 DC C2' C 13 39.7 . A 2 DC C4' C 13 86 . A 2 DC C5 C 13 98.5 . A 2 DC C6 C 13 142.8 . A 2 DC P P 31 -0.61 . A 3 DA H1' H 1 6.28 . A 3 DA H2 H 1 7.68 . A 3 DA H2' H 1 2.94 . A 3 DA H2'' H 1 2.68 . A 3 DA H4' H 1 4.42 . A 3 DA H8 H 1 8.32 . A 3 DA C1' C 13 85.2 . A 3 DA C2 C 13 154.6 . A 3 DA C2' C 13 40.8 . A 3 DA C4' C 13 87.7 . A 3 DA C8 C 13 141.8 . A 3 DA P P 31 -0.26 . A 4 DT H1' H 1 5.85 . A 4 DT H2' H 1 2.39 . A 4 DT H2'' H 1 1.97 . A 4 DT H3 H 1 13.49 . A 4 DT H4' H 1 4.14 . A 4 DT H6 H 1 7.11 . A 4 DT H7% H 1 1.37 . A 4 DT C1' C 13 85 . A 4 DT C2' C 13 39.1 . A 4 DT C4' C 13 85.1 . A 4 DT C6 C 13 138.3 . A 4 DT C7 C 13 14.2 . A 4 DT N3 N 15 158.9 . A 4 DT P P 31 -0.78 . A 5 DC H1' H 1 5.54 . A 5 DC H2' H 1 2.32 . A 5 DC H2'' H 1 1.92 . A 5 DC H4' H 1 4.06 . A 5 DC H5 H 1 5.51 . A 5 DC H6 H 1 7.34 . A 5 DC C1' C 13 86.4 . A 5 DC C2' C 13 39.6 . A 5 DC C4' C 13 85.5 . A 5 DC C5 C 13 98.8 . A 5 DC C6 C 13 143.5 . A 5 DC P P 31 -0.54 . A 6 DG H1 H 1 12.48 . A 6 DG H1' H 1 5.61 . A 6 DG H2' H 1 2.77 . A 6 DG H2'' H 1 2.66 . A 6 DG H4' H 1 4.31 . A 6 DG H8 H 1 7.84 . A 6 DG C1' C 13 83.9 . A 6 DG C2' C 13 40.5 . A 6 DG C4' C 13 87.2 . A 6 DG C8 C 13 138.2 . A 6 DG N1 N 15 146.9 . A 6 DG P P 31 -0.37 . A 7 DA H1' H 1 6.17 . A 7 DA H2 H 1 7.65 . A 7 DA H2' H 1 2.89 . A 7 DA H2'' H 1 2.59 . A 7 DA H4' H 1 4.42 . A 7 DA H8 H 1 8.1 . A 7 DA C1' C 13 85.1 . A 7 DA C2 C 13 154.6 . A 7 DA C2' C 13 41.6 . A 7 DA C4' C 13 87.4 . A 7 DA C8 C 13 141.2 . A 7 DA P P 31 -0.66 . A 8 DT H1' H 1 5.87 . A 8 DT H2' H 1 2.46 . A 8 DT H2'' H 1 1.91 . A 8 DT H3 H 1 13.63 . A 8 DT H4' H 1 4.13 . A 8 DT H6 H 1 7.09 . A 8 DT H7% H 1 1.26 . A 8 DT C1' C 13 85.1 . A 8 DT C2' C 13 39.1 . A 8 DT C4' C 13 85.2 . A 8 DT C6 C 13 138.3 . A 8 DT C7 C 13 14 . A 8 DT N3 N 15 159.1 . A 8 DT P P 31 -0.78 . A 9 DT H1' H 1 5.75 . A 9 DT H2' H 1 2.35 . A 9 DT H2'' H 1 1.98 . A 9 DT H3 H 1 13.75 . A 9 DT H4' H 1 4.07 . A 9 DT H6 H 1 7.2 . A 9 DT H7% H 1 1.55 . A 9 DT C1' C 13 85.3 . A 9 DT C2' C 13 39 . A 9 DT C4' C 13 85.5 . A 9 DT C6 C 13 139.5 . A 9 DT C7 C 13 14.6 . A 9 DT N3 N 15 159.2 . A 9 DT P P 31 -0.78 . A 10 DG H1 H 1 12.81 . A 10 DG H1' H 1 5.58 . A 10 DG H2' H 1 2.69 . A 10 DG H2'' H 1 2.64 . A 10 DG H4' H 1 4.32 . A 10 DG H8 H 1 7.8 . A 10 DG C1' C 13 84.1 . A 10 DG C2' C 13 40.2 . A 10 DG C4' C 13 87.1 . A 10 DG C8 C 13 138.4 . A 10 DG N1 N 15 147.3 . A 10 DG P P 31 -0.49 . A 11 DG H1 H 1 13.06 . A 11 DG H1' H 1 5.93 . A 11 DG H2' H 1 2.69 . A 11 DG H2'' H 1 2.51 . A 11 DG H4' H 1 4.35 . A 11 DG H8 H 1 7.71 . A 11 DG C1' C 13 84.7 . A 11 DG C2' C 13 41 . A 11 DG C4' C 13 86.8 . A 11 DG C8 C 13 137.5 . A 11 DG N1 N 15 147.6 . A 11 DG P P 31 -0.24 . A 12 DC H1' H 1 6.15 . A 12 DC H2' H 1 2.14 . A 12 DC H4' H 1 4 . A 12 DC H5 H 1 5.41 . A 12 DC H6 H 1 7.4 . A 12 DC C1' C 13 86.5 . A 12 DC C2' C 13 41.6 . A 12 DC C4' C 13 86.6 . A 12 DC C5 C 13 98.5 . A 12 DC C6 C 13 143.2 . A 12 DC P P 31 -0.39 . B 13 DG H1' H 1 5.96 . B 13 DG H2' H 1 2.76 . B 13 DG H2'' H 1 2.59 . B 13 DG H4' H 1 4.21 . B 13 DG H8 H 1 7.92 . B 13 DG C1' C 13 85.2 . B 13 DG C2' C 13 40.1 . B 13 DG C4' C 13 89.1 . B 13 DG C8 C 13 138.7 . B 14 DC H1' H 1 6.02 . B 14 DC H2' H 1 2.44 . B 14 DC H2'' H 1 2.1 . B 14 DC H4' H 1 4.2 . B 14 DC H5 H 1 5.36 . B 14 DC H6 H 1 7.43 . B 14 DC C1' C 13 86.7 . B 14 DC C2' C 13 39.7 . B 14 DC C4' C 13 86.1 . B 14 DC C5 C 13 98.9 . B 14 DC C6 C 13 142.8 . B 14 DC P P 31 -0.61 . B 15 DC H1' H 1 5.33 . B 15 DC H2' H 1 2.3 . B 15 DC H2'' H 1 2 . B 15 DC H4' H 1 4.06 . B 15 DC H5 H 1 5.6 . B 15 DC H6 H 1 7.43 . B 15 DC C1' C 13 86.3 . B 15 DC C2' C 13 39.3 . B 15 DC C4' C 13 85.5 . B 15 DC C5 C 13 98.9 . B 15 DC C6 C 13 143.3 . B 15 DC P P 31 -0.53 . B 16 DA H1' H 1 5.93 . B 16 DA H2 H 1 7.19 . B 16 DA H2' H 1 2.9 . B 16 DA H2'' H 1 2.76 . B 16 DA H4' H 1 4.39 . B 16 DA H8 H 1 8.22 . B 16 DA C1' C 13 84.6 . B 16 DA C2 C 13 154 . B 16 DA C2' C 13 40.5 . B 16 DA C4' C 13 87.6 . B 16 DA C8 C 13 141.6 . B 16 DA P P 31 -0.22 . B 17 DA H1' H 1 6.13 . B 17 DA H2 H 1 7.57 . B 17 DA H2' H 1 2.86 . B 17 DA H2'' H 1 2.52 . B 17 DA H4' H 1 4.43 . B 17 DA H8 H 1 8.13 . B 17 DA C1' C 13 84.7 . B 17 DA C2 C 13 154.5 . B 17 DA C2' C 13 41.2 . B 17 DA C4' C 13 87 . B 17 DA C8 C 13 141.1 . B 17 DA P P 31 -0.55 . B 18 DT H1' H 1 5.77 . B 18 DT H2' H 1 2.37 . B 18 DT H2'' H 1 1.93 . B 18 DT H3 H 1 13.46 . B 18 DT H4' H 1 4.11 . B 18 DT H6 H 1 7.02 . B 18 DT H7% H 1 1.27 . B 18 DT C1' C 13 85 . B 18 DT C2' C 13 39.3 . B 18 DT C4' C 13 85.2 . B 18 DT C6 C 13 138.3 . B 18 DT C7 C 13 14 . B 18 DT N3 N 15 159.1 . B 18 DT P P 31 -0.77 . B 19 DC H1' H 1 5.59 . B 19 DC H2' H 1 2.32 . B 19 DC H2'' H 1 1.91 . B 19 DC H4' H 1 4.06 . B 19 DC H5 H 1 5.47 . B 19 DC H6 H 1 7.31 . B 19 DC C1' C 13 86.4 . B 19 DC C2' C 13 39.7 . B 19 DC C4' C 13 85.7 . B 19 DC C5 C 13 98.7 . B 19 DC C6 C 13 143.5 . B 19 DC P P 31 -0.59 . B 20 DG H1 H 1 12.52 . B 20 DG H1' H 1 5.57 . B 20 DG H2' H 1 2.75 . B 20 DG H2'' H 1 2.64 . B 20 DG H4' H 1 4.3 . B 20 DG H8 H 1 7.83 . B 20 DG C1' C 13 83.9 . B 20 DG C2' C 13 40.5 . B 20 DG C4' C 13 87.3 . B 20 DG C8 C 13 138.2 . B 20 DG N1 N 15 147 . B 20 DG P P 31 -0.44 . B 21 DA H1' H 1 6.17 . B 21 DA H2 H 1 7.7 . B 21 DA H2' H 1 2.87 . B 21 DA H2'' H 1 2.56 . B 21 DA H4' H 1 4.41 . B 21 DA H8 H 1 8.12 . B 21 DA C1' C 13 85 . B 21 DA C2 C 13 154.7 . B 21 DA C2' C 13 41.4 . B 21 DA C4' C 13 87.4 . B 21 DA C8 C 13 141.1 . B 21 DA P P 31 -0.56 . B 22 DT H1' H 1 5.71 . B 22 DT H2' H 1 2.31 . B 22 DT H2'' H 1 1.9 . B 22 DT H3 H 1 13.49 . B 22 DT H4' H 1 4.09 . B 22 DT H6 H 1 7.01 . B 22 DT H7% H 1 1.34 . B 22 DT C1' C 13 84.9 . B 22 DT C2' C 13 39.5 . B 22 DT C4' C 13 85 . B 22 DT C6 C 13 138 . B 22 DT C7 C 13 14.2 . B 22 DT N3 N 15 159 . B 22 DT P P 31 -0.74 . B 23 DG H1 H 1 12.75 . B 23 DG H1' H 1 5.89 . B 23 DG H2' H 1 2.66 . B 23 DG H2'' H 1 2.56 . B 23 DG H4' H 1 4.32 . B 23 DG H8 H 1 7.81 . B 23 DG C1' C 13 84.5 . B 23 DG C2' C 13 40.5 . B 23 DG C4' C 13 86.9 . B 23 DG C8 C 13 138.2 . B 23 DG N1 N 15 147.7 . B 23 DG P P 31 -0.55 . B 24 DC H1' H 1 6.16 . B 24 DC H2' H 1 2.16 . B 24 DC H4' H 1 4.03 . B 24 DC H5 H 1 5.43 . B 24 DC H6 H 1 7.43 . B 24 DC C1' C 13 86.6 . B 24 DC C2' C 13 41.6 . B 24 DC C4' C 13 86.7 . B 24 DC C5 C 13 98.5 . B 24 DC C6 C 13 143.3 . B 24 DC P P 31 -0.3 . stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 1 DG H1' A 1 DG H8 1.0 2.89 3.91 2 2 A 1 DG H1' A 2 DC H6 1.0 2.51 3.39 3 3 A 1 DG H1' A 1 DG H2'' 1.0 2.06 2.78 4 4 A 1 DG H8 A 1 DG H2'' 1.0 2.63 3.55 5 5 A 1 DG H2'' A 2 DC H5 1.0 3.06 4.14 6 6 A 2 DC H6 A 1 DG H2'' 1.0 2.19 2.97 7 7 A 1 DG H1' A 1 DG H2' 1.0 2.40 3.24 8 8 A 1 DG H8 A 1 DG H2' 1.0 1.93 2.61 9 9 A 2 DC H5 A 1 DG H2' 1.0 3.32 4.48 10 10 A 2 DC H6 A 1 DG H2' 1.0 2.67 3.61 11 11 A 1 DG H1' A 1 DG H4' 1.0 2.81 3.81 12 12 A 2 DC H6 A 2 DC H1' 1.0 3.41 4.61 13 13 A 2 DC H1' A 3 DA H8 1.0 2.70 4.04 14 14 A 2 DC H1' A 2 DC H2'' 1.0 2.17 2.93 15 15 A 2 DC H6 A 2 DC H2'' 1.0 2.12 3.92 16 16 A 3 DA H8 A 2 DC H2'' 1.0 2.42 3.28 17 17 A 2 DC H1' A 2 DC H2' 1.0 2.82 3.82 18 18 A 2 DC H5 A 2 DC H2' 1.0 3.40 4.60 19 19 A 2 DC H6 A 2 DC H2' 1.0 1.86 2.52 20 20 A 3 DA H8 A 2 DC H2' 1.0 2.89 3.91 21 21 A 2 DC H1' A 2 DC H4' 1.0 2.93 3.97 22 22 A 1 DG H8 A 2 DC H6 1.0 3.77 5.09 23 23 A 2 DC H6 A 3 DA H8 1.0 3.91 5.29 24 24 A 3 DA H1' A 3 DA H2 1.0 3.40 4.60 25 25 A 3 DA H8 A 3 DA H1' 1.0 3.01 4.07 26 26 A 3 DA H1' A 4 DT H6 1.0 2.62 3.92 27 27 A 3 DA H1' A 3 DA H2'' 1.0 2.18 2.96 28 28 A 3 DA H8 A 3 DA H2'' 1.0 2.16 4.00 29 29 A 4 DT H6 A 3 DA H2'' 1.0 2.21 2.99 30 30 A 3 DA H1' A 3 DA H2' 1.0 2.60 3.52 31 31 A 3 DA H8 A 3 DA H2' 1.0 2.00 2.70 32 32 A 4 DT H6 A 3 DA H2' 1.0 2.71 3.67 33 33 A 3 DA H1' A 3 DA H4' 1.0 2.91 3.93 34 34 A 3 DA H2 A 4 DT H1' 1.0 3.40 4.60 35 35 A 4 DT H6 A 4 DT H1' 1.0 3.03 4.09 36 36 A 4 DT H1' A 5 DC H6 1.0 3.23 4.37 37 37 A 4 DT H1' A 4 DT H2'' 1.0 2.29 3.11 38 38 A 4 DT H6 A 4 DT H2'' 1.0 2.12 3.92 39 39 A 4 DT H2'' A 5 DC H5 1.0 3.08 4.16 40 40 A 5 DC H6 A 4 DT H2'' 1.0 2.31 3.13 41 41 A 4 DT H1' A 4 DT H2' 1.0 2.71 3.67 42 42 A 4 DT H6 A 4 DT H2' 1.0 1.95 2.63 43 43 A 5 DC H5 A 4 DT H2' 1.0 3.14 4.26 44 44 A 5 DC H6 A 4 DT H2' 1.0 2.78 3.76 45 45 A 4 DT H1' A 4 DT H4' 1.0 2.52 3.42 46 46 A 3 DA H1' A 4 DT H7% 1.0 4.23 5.73 47 47 A 3 DA H2'' A 4 DT H7% 1.0 3.67 4.97 48 48 A 3 DA H2' A 4 DT H7% 1.0 2.70 5.62 49 49 A 3 DA H8 A 4 DT H7% 1.0 2.89 3.91 50 50 A 4 DT H2' A 4 DT H7% 1.0 4.25 5.75 51 51 A 4 DT H6 A 4 DT H7% 1.0 2.46 3.70 52 52 A 4 DT H7% A 5 DC H1' 1.0 3.35 6.95 53 53 A 3 DA H8 A 4 DT H6 1.0 3.38 4.58 54 54 A 4 DT H6 A 5 DC H6 1.0 3.54 4.78 55 55 A 5 DC H6 A 5 DC H1' 1.0 3.27 4.43 56 56 A 5 DC H1' A 6 DG H8 1.0 3.08 4.16 57 57 A 5 DC H1' A 5 DC H2'' 1.0 2.41 3.25 58 58 A 5 DC H6 A 5 DC H2'' 1.0 2.54 3.82 59 59 A 6 DG H8 A 5 DC H2'' 1.0 2.21 2.99 60 60 A 5 DC H1' A 5 DC H2' 1.0 2.78 5.14 61 61 A 5 DC H5 A 5 DC H2' 1.0 3.15 4.27 62 62 A 5 DC H6 A 5 DC H2' 1.0 1.95 2.65 63 63 A 6 DG H8 A 5 DC H2' 1.0 2.39 3.23 64 64 A 5 DC H1' A 5 DC H4' 1.0 2.74 3.70 65 65 A 5 DC H6 A 5 DC H5 1.0 2.04 2.76 66 66 A 5 DC H6 A 6 DG H8 1.0 3.38 4.58 67 67 A 6 DG H8 A 6 DG H1' 1.0 3.01 4.07 68 68 A 6 DG H1' A 7 DA H8 1.0 2.54 3.44 69 69 A 6 DG H1' A 6 DG H2'' 1.0 2.37 3.21 70 70 A 7 DA H8 A 6 DG H2'' 1.0 2.15 2.91 71 71 A 6 DG H1' A 6 DG H2' 1.0 2.70 3.66 72 72 A 6 DG H8 A 6 DG H2' 1.0 1.74 2.36 73 73 A 7 DA H8 A 6 DG H2' 1.0 2.69 3.63 74 74 A 6 DG H1' A 6 DG H4' 1.0 3.41 4.61 75 75 A 6 DG H8 A 7 DA H8 1.0 3.38 4.58 76 76 A 7 DA H1' A 7 DA H2 1.0 3.49 4.73 77 77 A 7 DA H8 A 7 DA H1' 1.0 2.93 3.97 78 78 A 7 DA H1' A 8 DT H6 1.0 2.75 3.71 79 79 A 7 DA H1' A 7 DA H2'' 1.0 1.96 2.66 80 80 A 7 DA H8 A 7 DA H2'' 1.0 2.08 3.84 81 81 A 8 DT H6 A 7 DA H2'' 1.0 2.17 2.93 82 82 A 7 DA H1' A 7 DA H2' 1.0 2.55 3.45 83 83 A 7 DA H8 A 7 DA H2' 1.0 1.98 2.68 84 84 A 8 DT H6 A 7 DA H2' 1.0 2.15 3.99 85 85 A 7 DA H1' A 7 DA H4' 1.0 2.70 3.66 86 86 A 7 DA H2 A 8 DT H1' 1.0 3.15 4.27 87 87 A 8 DT H6 A 8 DT H1' 1.0 3.14 4.24 88 88 A 8 DT H1' A 9 DT H6 1.0 3.22 4.36 89 89 A 8 DT H1' A 8 DT H2'' 1.0 2.27 3.07 90 90 A 8 DT H6 A 8 DT H2'' 1.0 2.18 4.02 91 91 A 9 DT H6 A 8 DT H2'' 1.0 2.17 2.93 92 92 A 8 DT H1' A 8 DT H2' 1.0 2.61 3.53 93 93 A 8 DT H6 A 8 DT H2' 1.0 1.98 2.68 94 94 A 9 DT H6 A 8 DT H2' 1.0 2.49 3.37 95 95 A 8 DT H1' A 8 DT H4' 1.0 2.61 3.53 96 96 A 7 DA H1' A 8 DT H7% 1.0 4.15 5.61 97 97 A 7 DA H2'' A 8 DT H7% 1.0 3.32 4.50 98 98 A 7 DA H2' A 8 DT H7% 1.0 3.38 4.58 99 99 A 7 DA H8 A 8 DT H7% 1.0 2.90 3.92 100 100 A 8 DT H2' A 8 DT H7% 1.0 3.83 5.19 101 101 A 8 DT H6 A 8 DT H7% 1.0 2.67 3.61 102 102 A 7 DA H8 A 8 DT H6 1.0 3.41 5.11 103 103 A 8 DT H6 A 9 DT H6 1.0 2.56 4.76 104 104 A 9 DT H6 A 9 DT H1' 1.0 2.98 4.04 105 105 A 9 DT H1' A 10 DG H8 1.0 3.22 4.36 106 106 A 9 DT H1' A 9 DT H2'' 1.0 2.28 3.08 107 107 A 9 DT H6 A 9 DT H2'' 1.0 2.09 3.89 108 108 A 10 DG H8 A 9 DT H2'' 1.0 2.44 3.30 109 109 A 9 DT H1' A 9 DT H2' 1.0 2.75 3.71 110 110 A 9 DT H6 A 9 DT H2' 1.0 1.89 2.55 111 111 A 10 DG H8 A 9 DT H2' 1.0 2.60 3.52 112 112 A 9 DT H1' A 9 DT H4' 1.0 2.58 3.50 113 113 A 8 DT H1' A 9 DT H7% 1.0 4.60 6.22 114 114 A 8 DT H2'' A 9 DT H7% 1.0 3.51 4.75 115 115 A 8 DT H2' A 9 DT H7% 1.0 3.00 4.50 116 116 A 8 DT H6 A 9 DT H7% 1.0 3.00 4.06 117 117 A 9 DT H2' A 9 DT H7% 1.0 4.09 5.53 118 118 A 9 DT H6 A 9 DT H7% 1.0 2.46 3.68 119 119 A 9 DT H6 A 10 DG H8 1.0 3.29 4.45 120 120 A 10 DG H8 A 10 DG H1' 1.0 3.15 4.25 121 121 A 10 DG H1' A 11 DG H8 1.0 2.57 3.47 122 122 A 10 DG H1' A 10 DG H2'' 1.0 2.41 3.25 123 123 A 10 DG H8 A 10 DG H2'' 1.0 1.88 3.48 124 124 A 11 DG H8 A 10 DG H2'' 1.0 2.22 3.00 125 125 A 10 DG H1' A 10 DG H2' 1.0 2.51 3.39 126 126 A 10 DG H8 A 10 DG H2' 1.0 1.88 2.54 127 127 A 11 DG H8 A 10 DG H2' 1.0 2.78 3.76 128 128 A 11 DG H8 A 11 DG H1' 1.0 3.00 4.06 129 129 A 11 DG H1' A 12 DC H6 1.0 2.96 4.00 130 130 A 11 DG H1' A 11 DG H2'' 1.0 2.18 2.96 131 131 A 11 DG H8 A 11 DG H2'' 1.0 1.90 3.94 132 132 A 11 DG H2'' A 12 DC H5 1.0 3.33 4.51 133 133 A 12 DC H6 A 11 DG H2'' 1.0 2.28 3.08 134 134 A 11 DG H1' A 11 DG H2' 1.0 2.93 3.97 135 135 A 11 DG H8 A 11 DG H2' 1.0 1.92 2.60 136 136 A 12 DC H5 A 11 DG H2' 1.0 3.54 4.80 137 137 A 12 DC H6 A 11 DG H2' 1.0 2.68 3.62 138 138 A 11 DG H1' A 11 DG H4' 1.0 2.84 3.84 139 139 A 10 DG H8 A 11 DG H8 1.0 3.08 4.16 140 140 A 12 DC H6 A 12 DC H1' 1.0 2.92 3.94 141 141 A 12 DC H1' A 12 DC H2' 1.0 2.09 2.83 142 142 A 12 DC H5 A 12 DC H2' 1.0 4.00 5.42 143 143 A 12 DC H6 A 12 DC H2' 1.0 2.10 2.84 144 144 A 12 DC H1' A 12 DC H4' 1.0 2.50 3.38 145 145 A 12 DC H6 A 12 DC H5 1.0 2.10 2.84 146 146 A 11 DG H8 A 12 DC H6 1.0 3.31 4.49 147 147 B 13 DG H1' B 13 DG H8 1.0 2.89 3.91 148 148 B 13 DG H1' B 14 DC H6 1.0 2.51 3.39 149 149 B 13 DG H1' B 13 DG H2'' 1.0 2.04 2.76 150 150 B 13 DG H8 B 13 DG H2'' 1.0 2.59 3.70 151 151 B 13 DG H2'' B 14 DC H5 1.0 3.12 4.22 152 152 B 14 DC H6 B 13 DG H2'' 1.0 2.19 2.97 153 153 B 13 DG H1' B 13 DG H2' 1.0 2.59 3.51 154 154 B 13 DG H8 B 13 DG H2' 1.0 1.97 2.67 155 155 B 14 DC H5 B 13 DG H2' 1.0 3.77 5.11 156 156 B 14 DC H6 B 13 DG H2' 1.0 2.81 3.79 157 157 B 13 DG H1' B 13 DG H4' 1.0 2.95 3.99 158 158 B 14 DC H6 B 14 DC H1' 1.0 2.93 3.97 159 159 B 14 DC H1' B 14 DC H2'' 1.0 2.18 2.96 160 160 B 14 DC H6 B 14 DC H2'' 1.0 2.13 3.97 161 161 B 14 DC H2'' B 15 DC H5 1.0 3.01 4.07 162 162 B 14 DC H1' B 14 DC H2' 1.0 3.03 4.09 163 163 B 14 DC H5 B 14 DC H2' 1.0 3.73 5.05 164 164 B 14 DC H6 B 14 DC H2' 1.0 1.88 2.54 165 165 B 15 DC H5 B 14 DC H2' 1.0 3.06 4.14 166 166 B 14 DC H1' B 14 DC H4' 1.0 2.85 3.85 167 167 B 14 DC H6 B 14 DC H5 1.0 2.08 2.82 168 168 B 13 DG H8 B 14 DC H6 1.0 3.77 5.09 169 169 B 15 DC H1' B 16 DA H8 1.0 3.20 4.34 170 170 B 15 DC H1' B 15 DC H2'' 1.0 2.44 3.66 171 171 B 15 DC H2'' B 15 DC H6 1.0 2.18 4.06 172 172 B 16 DA H8 B 15 DC H2'' 1.0 2.48 3.72 173 173 B 15 DC H1' B 15 DC H2' 1.0 3.20 6.66 174 174 B 15 DC H5 B 15 DC H2' 1.0 3.26 4.40 175 175 B 15 DC H6 B 15 DC H2' 1.0 1.92 2.60 176 176 B 16 DA H8 B 15 DC H2' 1.0 2.56 4.28 177 177 B 15 DC H1' B 15 DC H4' 1.0 2.63 3.55 178 178 B 15 DC H5 B 15 DC H6 1.0 2.18 2.94 179 179 B 16 DA H8 B 15 DC H6 1.0 4.09 5.53 180 180 B 16 DA H8 B 16 DA H1' 1.0 3.16 4.28 181 181 B 16 DA H1' B 17 DA H8 1.0 2.63 3.57 182 182 B 16 DA H2 B 17 DA H2 1.0 2.79 3.77 183 183 B 16 DA H1' B 16 DA H2'' 1.0 2.20 2.98 184 184 B 16 DA H8 B 16 DA H2'' 1.0 2.10 3.90 185 185 B 17 DA H8 B 16 DA H2'' 1.0 2.19 2.97 186 186 B 16 DA H1' B 16 DA H2' 1.0 2.68 3.62 187 187 B 16 DA H8 B 16 DA H2' 1.0 1.99 2.69 188 188 B 17 DA H8 B 16 DA H2' 1.0 2.19 2.95 189 189 B 16 DA H1' B 16 DA H4' 1.0 3.09 4.19 190 190 B 16 DA H2 B 17 DA H1' 1.0 3.40 4.60 191 191 B 17 DA H2 B 17 DA H1' 1.0 3.61 4.89 192 192 B 17 DA H8 B 17 DA H1' 1.0 3.02 4.08 193 193 B 17 DA H1' B 18 DT H6 1.0 2.79 3.77 194 194 B 17 DA H1' B 17 DA H2'' 1.0 2.20 2.98 195 195 B 17 DA H8 B 17 DA H2'' 1.0 2.07 3.83 196 196 B 18 DT H6 B 17 DA H2'' 1.0 2.17 2.93 197 197 B 17 DA H1' B 17 DA H2' 1.0 2.68 3.62 198 198 B 17 DA H8 B 17 DA H2' 1.0 2.02 2.74 199 199 B 18 DT H6 B 17 DA H2' 1.0 2.61 3.53 200 200 B 17 DA H1' B 17 DA H4' 1.0 2.86 3.86 201 201 B 16 DA H8 B 17 DA H8 1.0 3.20 4.34 202 202 B 17 DA H2 B 18 DT H1' 1.0 3.23 4.37 203 203 B 18 DT H6 B 18 DT H1' 1.0 3.10 4.20 204 204 B 18 DT H1' B 19 DC H6 1.0 3.25 4.39 205 205 B 18 DT H1' B 18 DT H2'' 1.0 2.18 2.94 206 206 B 18 DT H6 B 18 DT H2'' 1.0 2.15 3.99 207 207 B 18 DT H2'' B 19 DC H5 1.0 3.05 4.13 208 208 B 19 DC H6 B 18 DT H2'' 1.0 2.25 3.05 209 209 B 18 DT H1' B 18 DT H2' 1.0 2.96 4.00 210 210 B 18 DT H6 B 18 DT H2' 1.0 1.91 2.59 211 211 B 19 DC H5 B 18 DT H2' 1.0 3.03 4.11 212 212 B 19 DC H6 B 18 DT H2' 1.0 2.33 3.15 213 213 B 18 DT H1' B 18 DT H4' 1.0 2.54 3.44 214 214 B 17 DA H1' B 18 DT H7% 1.0 4.28 5.80 215 215 B 17 DA H2'' B 18 DT H7% 1.0 3.42 4.62 216 216 B 17 DA H2' B 18 DT H7% 1.0 3.38 4.58 217 217 B 17 DA H8 B 18 DT H7% 1.0 2.92 3.94 218 218 B 18 DT H2' B 18 DT H7% 1.0 3.95 5.35 219 219 B 18 DT H6 B 18 DT H7% 1.0 2.64 3.58 220 220 B 19 DC H5 B 18 DT H7% 1.0 4.22 5.72 221 221 B 17 DA H8 B 18 DT H6 1.0 2.63 4.91 222 222 B 18 DT H6 B 19 DC H6 1.0 3.06 5.70 223 223 B 19 DC H6 B 19 DC H1' 1.0 3.38 4.58 224 224 B 19 DC H1' B 20 DG H8 1.0 3.17 4.29 225 225 B 19 DC H1' B 19 DC H2'' 1.0 2.22 3.00 226 226 B 19 DC H5 B 19 DC H2'' 1.0 3.15 5.85 227 227 B 19 DC H6 B 19 DC H2'' 1.0 3.12 4.08 228 228 B 20 DG H8 B 19 DC H2'' 1.0 2.35 3.19 229 229 B 19 DC H1' B 19 DC H2' 1.0 3.12 6.48 230 230 B 19 DC H6 B 19 DC H2' 1.0 2.04 2.74 231 231 B 20 DG H8 B 19 DC H2' 1.0 2.09 3.89 232 232 B 19 DC H1' B 19 DC H4' 1.0 2.64 3.58 233 233 B 19 DC H6 B 19 DC H5 1.0 2.07 2.81 234 234 B 19 DC H6 B 20 DG H8 1.0 2.75 5.11 235 235 B 20 DG H8 B 20 DG H1' 1.0 3.02 4.08 236 236 B 20 DG H1' B 21 DA H8 1.0 2.59 3.51 237 237 B 20 DG H1' B 20 DG H2'' 1.0 2.43 3.29 238 238 B 21 DA H8 B 20 DG H2'' 1.0 2.22 3.00 239 239 B 20 DG H1' B 20 DG H2' 1.0 2.61 3.53 240 240 B 21 DA H8 B 20 DG H2' 1.0 2.67 3.61 241 241 B 20 DG H1' B 20 DG H4' 1.0 3.03 4.11 242 242 B 20 DG H8 B 21 DA H8 1.0 2.69 4.97 243 243 B 21 DA H1' B 21 DA H2 1.0 3.33 4.51 244 244 B 21 DA H8 B 21 DA H1' 1.0 2.93 3.97 245 245 B 21 DA H1' B 22 DT H6 1.0 2.76 3.74 246 246 B 21 DA H1' B 21 DA H2'' 1.0 1.95 2.63 247 247 B 21 DA H8 B 21 DA H2'' 1.0 2.08 3.84 248 248 B 22 DT H6 B 21 DA H2'' 1.0 2.06 2.78 249 249 B 21 DA H1' B 21 DA H2' 1.0 2.45 3.31 250 250 B 21 DA H8 B 21 DA H2' 1.0 1.97 2.67 251 251 B 22 DT H6 B 21 DA H2' 1.0 2.63 3.55 252 252 B 21 DA H1' B 21 DA H4' 1.0 2.70 3.66 253 253 B 21 DA H2 B 22 DT H1' 1.0 3.20 4.34 254 254 B 22 DT H6 B 22 DT H1' 1.0 3.02 4.08 255 255 B 22 DT H1' B 23 DG H8 1.0 3.04 4.12 256 256 B 22 DT H1' B 22 DT H2'' 1.0 2.28 3.08 257 257 B 22 DT H6 B 22 DT H2'' 1.0 2.58 3.50 258 258 B 23 DG H8 B 22 DT H2'' 1.0 2.24 3.04 259 259 B 22 DT H1' B 22 DT H2' 1.0 2.73 3.69 260 260 B 22 DT H6 B 22 DT H2' 1.0 1.90 2.58 261 261 B 23 DG H8 B 22 DT H2' 1.0 2.38 3.22 262 262 B 22 DT H1' B 22 DT H4' 1.0 2.53 3.43 263 263 B 21 DA H1' B 22 DT H7% 1.0 4.42 5.98 264 264 B 21 DA H2'' B 22 DT H7% 1.0 3.58 4.84 265 265 B 21 DA H2' B 22 DT H7% 1.0 3.30 4.94 266 266 B 21 DA H8 B 22 DT H7% 1.0 2.97 4.03 267 267 B 22 DT H2' B 22 DT H7% 1.0 4.11 5.57 268 268 B 22 DT H6 B 22 DT H7% 1.0 2.49 3.73 269 269 B 21 DA H8 B 22 DT H6 1.0 2.54 4.74 270 270 B 22 DT H6 B 23 DG H8 1.0 3.17 4.75 271 271 B 23 DG H8 B 23 DG H1' 1.0 3.01 4.07 272 272 B 23 DG H1' B 24 DC H6 1.0 2.94 3.98 273 273 B 23 DG H1' B 23 DG H2'' 1.0 2.24 3.04 274 274 B 23 DG H2'' B 24 DC H5 1.0 3.17 4.29 275 275 B 24 DC H6 B 23 DG H2'' 1.0 2.35 3.17 276 276 B 23 DG H1' B 23 DG H2' 1.0 3.13 4.23 277 277 B 24 DC H5 B 23 DG H2' 1.0 3.33 4.51 278 278 B 23 DG H1' B 23 DG H4' 1.0 3.05 4.13 279 279 B 24 DC H6 B 24 DC H1' 1.0 2.93 3.97 280 280 B 24 DC H1' B 24 DC H2' 1.0 2.07 2.81 281 281 B 24 DC H5 B 24 DC H2' 1.0 3.38 4.58 282 282 B 24 DC H1' B 24 DC H4' 1.0 2.54 3.44 283 283 B 24 DC H6 B 24 DC H5 1.0 1.99 2.69 284 284 B 23 DG H8 B 24 DC H6 1.0 3.34 4.52 stop_ save_ save_CNS/XPLOR_dipolar_coupling_3 _nef_rdc_restraint_list.sf_category nef_rdc_restraint_list _nef_rdc_restraint_list.sf_framecode CNS/XPLOR_dipolar_coupling_3 _nef_rdc_restraint_list.potential_type square-well-parabolic _nef_rdc_restraint_list.restraint_origin . loop_ _nef_rdc_restraint.index _nef_rdc_restraint.restraint_id _nef_rdc_restraint.chain_code_1 _nef_rdc_restraint.sequence_code_1 _nef_rdc_restraint.residue_name_1 _nef_rdc_restraint.atom_name_1 _nef_rdc_restraint.chain_code_2 _nef_rdc_restraint.sequence_code_2 _nef_rdc_restraint.residue_name_2 _nef_rdc_restraint.atom_name_2 _nef_rdc_restraint.weight _nef_rdc_restraint.lower_limit _nef_rdc_restraint.upper_limit _nef_rdc_restraint.scale 1 1 A 2 DC C1' A 2 DC H1' 1.0 9.8 15.8 . 2 2 A 3 DA C1' A 3 DA H1' 1.0 16.6 22.6 . 3 3 A 4 DT C1' A 4 DT H1' 1.0 6.1 12.1 . 4 4 A 5 DC C1' A 5 DC H1' 1.0 14.9 20.9 . 5 5 A 6 DG C1' A 6 DG H1' 1.0 21.5 27.5 . 6 6 A 7 DA C1' A 7 DA H1' 1.0 16.8 22.8 . 7 7 A 8 DT C1' A 8 DT H1' 1.0 22.9 28.9 . 8 8 A 9 DT C1' A 9 DT H1' 1.0 20.5 26.5 . 9 9 A 10 DG C1' A 10 DG H1' 1.0 16.7 22.7 . 10 10 A 11 DG C1' A 11 DG H1' 1.0 18.7 24.7 . 11 11 B 14 DC C1' B 14 DC H1' 1.0 11.2 17.2 . 12 12 B 15 DC C1' B 15 DC H1' 1.0 12.4 18.4 . 13 13 B 16 DA C1' B 16 DA H1' 1.0 25.1 31.1 . 14 14 B 17 DA C1' B 17 DA H1' 1.0 19.1 25.1 . 15 15 B 18 DT C1' B 18 DT H1' 1.0 19.1 25.1 . 16 16 B 19 DC C1' B 19 DC H1' 1.0 16.6 22.6 . 17 17 B 20 DG C1' B 20 DG H1' 1.0 13.1 19.1 . 18 18 B 21 DA C1' B 21 DA H1' 1.0 20.5 26.5 . 19 19 B 22 DT C1' B 22 DT H1' 1.0 20.8 26.8 . 20 20 A 3 DA C4' A 3 DA H4' 1.0 -14.9 -8.9 . 21 21 A 4 DT C4' A 4 DT H4' 1.0 -11.5 -5.5 . 22 22 A 5 DC C4' A 5 DC H4' 1.0 6.9 12.9 . 23 23 A 6 DG C4' A 6 DG H4' 1.0 9.5 15.5 . 24 24 A 7 DA C4' A 7 DA H4' 1.0 10.7 16.7 . 25 25 A 8 DT C4' A 8 DT H4' 1.0 9.2 15.2 . 26 26 A 9 DT C4' A 9 DT H4' 1.0 9.3 15.3 . 27 27 A 10 DG C4' A 10 DG H4' 1.0 22.7 28.7 . 28 28 B 15 DC C4' B 15 DC H4' 1.0 7.9 13.9 . 29 29 B 16 DA C4' B 16 DA H4' 1.0 -7.3 -1.3 . 30 30 B 17 DA C4' B 17 DA H4' 1.0 -2.7 3.3 . 31 31 B 18 DT C4' B 18 DT H4' 1.0 5.4 11.4 . 32 32 B 19 DC C4' B 19 DC H4' 1.0 0.3 6.3 . 33 33 B 21 DA C4' B 21 DA H4' 1.0 16.0 22.0 . 34 34 B 22 DT C4' B 22 DT H4' 1.0 23.1 29.1 . 35 35 A 3 DA C8 A 3 DA H8 1.0 18.7 24.7 . 36 36 A 5 DC C6 A 5 DC H6 1.0 26.4 32.4 . 37 37 A 6 DG C8 A 6 DG H8 1.0 31.8 37.8 . 38 38 A 8 DT C6 A 8 DT H6 1.0 28.1 34.1 . 39 39 A 9 DT C6 A 9 DT H6 1.0 24.4 30.4 . 40 40 A 10 DG C8 A 10 DG H8 1.0 23.1 29.1 . 41 41 A 11 DG C8 A 11 DG H8 1.0 21.1 27.1 . 42 42 B 15 DC C6 B 15 DC H6 1.0 18.7 24.7 . 43 43 B 16 DA C8 B 16 DA H8 1.0 22.8 28.8 . 44 44 B 17 DA C8 B 17 DA H8 1.0 27.4 33.4 . 45 45 B 18 DT C6 B 18 DT H6 1.0 29.7 35.7 . 46 46 B 19 DC C6 B 19 DC H6 1.0 31.7 37.7 . 47 47 B 20 DG C8 B 20 DG H8 1.0 27.5 33.5 . 48 48 B 22 DT C6 B 22 DT H6 1.0 22.9 28.9 . 49 49 A 5 DC C5 A 5 DC H5 1.0 23.0 29.0 . 50 50 B 14 DC C5 B 14 DC H5 1.0 22.0 28.0 . 51 51 B 15 DC C5 B 15 DC H5 1.0 20.7 26.7 . 52 52 B 19 DC C5 B 19 DC H5 1.0 26.0 32.0 . 53 53 A 3 DA C2 A 3 DA H2 1.0 14.4 20.4 . 54 54 A 7 DA C2 A 7 DA H2 1.0 30.9 36.9 . 55 55 B 16 DA C2 B 16 DA H2 1.0 20.3 26.3 . 56 56 B 17 DA C2 B 17 DA H2 1.0 24.1 30.1 . 57 57 B 21 DA C2 B 21 DA H2 1.0 29.3 35.3 . stop_ save_ save_spectral_peak_list_1 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_1 _nef_nmr_spectrum.num_dimensions 2 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.folding 1 ppm 1H 22 . 2 ppm 1H 22 . stop_ save_